AU2001250005A1 - Prediction of molecular polar surface area and bioabsorption - Google Patents

Prediction of molecular polar surface area and bioabsorption

Info

Publication number
AU2001250005A1
AU2001250005A1 AU2001250005A AU5000501A AU2001250005A1 AU 2001250005 A1 AU2001250005 A1 AU 2001250005A1 AU 2001250005 A AU2001250005 A AU 2001250005A AU 5000501 A AU5000501 A AU 5000501A AU 2001250005 A1 AU2001250005 A1 AU 2001250005A1
Authority
AU
Australia
Prior art keywords
bioabsorption
prediction
surface area
polar surface
molecular polar
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Abandoned
Application number
AU2001250005A
Other languages
English (en)
Inventor
William J. Egan
Giorgio Lauri
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Pharmacopeia LLC
Original Assignee
Pharmacopeia Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Pharmacopeia Inc filed Critical Pharmacopeia Inc
Publication of AU2001250005A1 publication Critical patent/AU2001250005A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00—Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48—Biological material, e.g. blood, urine; Haemocytometers
    • G01N33/50—Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
    • G01N33/68—Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing involving proteins, peptides or amino acids
    • G01N33/6803—General methods of protein analysis not limited to specific proteins or families of proteins
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70—Machine learning, data mining or chemometrics
    • Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y10—TECHNICAL SUBJECTS COVERED BY FORMER USPC
    • Y10S—TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y10S707/00—Data processing: database and file management or data structures
    • Y10S707/99941—Database schema or data structure
    • Y10S707/99943—Generating database or data structure, e.g. via user interface

Landscapes

  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Molecular Biology (AREA)
  • Biomedical Technology (AREA)
  • Urology & Nephrology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Immunology (AREA)
  • Hematology (AREA)
  • Physics & Mathematics (AREA)
  • Biotechnology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Biophysics (AREA)
  • Cell Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Microbiology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Food Science & Technology (AREA)
  • Medicinal Chemistry (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • General Physics & Mathematics (AREA)
  • Pathology (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
AU2001250005A 2000-04-19 2001-02-26 Prediction of molecular polar surface area and bioabsorption Abandoned AU2001250005A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
US09/552,549 US6522975B1 (en) 2000-04-19 2000-04-19 Prediction of molecular polar surface area and bioabsorption
US09552549 2000-04-19
PCT/US2001/040184 WO2001079841A1 (en) 2000-04-19 2001-02-26 Prediction of molecular polar surface area and bioabsorption

Publications (1)

Publication Number Publication Date
AU2001250005A1 true AU2001250005A1 (en) 2001-10-30

Family

ID=24205808

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2001250005A Abandoned AU2001250005A1 (en) 2000-04-19 2001-02-26 Prediction of molecular polar surface area and bioabsorption

Country Status (6)

Country Link
US (3) US6522975B1 (ja)
EP (1) EP1279034A4 (ja)
JP (1) JP2004501348A (ja)
AU (1) AU2001250005A1 (ja)
CA (1) CA2404929A1 (ja)
WO (1) WO2001079841A1 (ja)

Families Citing this family (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6522975B1 (en) * 2000-04-19 2003-02-18 Pharmacopeia, Inc. Prediction of molecular polar surface area and bioabsorption
JP2005529158A (ja) * 2002-05-28 2005-09-29 ザ・トラスティーズ・オブ・ザ・ユニバーシティ・オブ・ペンシルベニア 両親媒性ポリマーのコンピュータ分析および設計のための方法、システムおよびコンピュータプログラム製品
JP5010034B2 (ja) * 2007-12-28 2012-08-29 エフ．ホフマン−ラ ロシュ アーゲー 生理学的状態の評価
WO2011075818A1 (en) * 2009-12-23 2011-06-30 The Governors Of The University Of Alberta Automated, objective and optimized feature selection in chemometric modeling (cluster resolution)

Family Cites Families (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
SE9804127D0 (sv) * 1998-11-27 1998-11-27 Astra Ab New method
US6522975B1 (en) * 2000-04-19 2003-02-18 Pharmacopeia, Inc. Prediction of molecular polar surface area and bioabsorption
US20030130799A1 (en) * 2001-04-05 2003-07-10 Charles Pidgeon Structure/properties correlation with membrane affinity profile
US20030120430A1 (en) * 2001-12-03 2003-06-26 Icagen, Inc. Method for producing chemical libraries enhanced with biologically active molecules

Also Published As

Publication number Publication date
US20030114991A1 (en) 2003-06-19
US20030114990A1 (en) 2003-06-19
CA2404929A1 (en) 2001-10-25
EP1279034A4 (en) 2006-04-19
EP1279034A1 (en) 2003-01-29
JP2004501348A (ja) 2004-01-15
US6522975B1 (en) 2003-02-18
US7113870B2 (en) 2006-09-26
WO2001079841A1 (en) 2001-10-25

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